1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone

C19H19NO2 — CID 141065509

IUPAC1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone
SMILESCC(=O)C1=C(O)CN(c2ccc(C)cc2)C1c1ccccc1
InChIInChI=1S/C19H19NO2/c1-13-8-10-16(11-9-13)20-12-17(22)18(14(2)21)19(20)15-6-4-3-5-7-15/h3-11,19,22H,12H2,1-2H3
InChIKeyQGQCHSLXPXKNCV-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.96
Rot. Bonds3

About 1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone

1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone (PubChem CID 141065509) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone
PubChem CID141065509
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone
SMILESCC(=O)C1=C(O)CN(c2ccc(C)cc2)C1c1ccccc1
InChIInChI=1S/C19H19NO2/c1-13-8-10-16(11-9-13)20-12-17(22)18(14(2)21)19(20)15-6-4-3-5-7-15/h3-11,19,22H,12H2,1-2H3
InChIKeyQGQCHSLXPXKNCV-UHFFFAOYSA-N
XLogP3.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone?
The IUPAC name of 1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone (CID 141065509) is 1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone?
The canonical SMILES for 1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone is CC(=O)C1=C(O)CN(c2ccc(C)cc2)C1c1ccccc1.
What is the InChIKey of 1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone?
The InChIKey is QGQCHSLXPXKNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-13-8-10-16(11-9-13)20-12-17(22)18(14(2)21)19(20)15-6-4-3-5-7-15/h3-11,19,22H,12H2,1-2H3.
What are the key properties of 1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone?
1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone has a molecular weight of 293.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone is sourced from PubChem (CID 141065509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).